CHEBI:58687 - pheophorbide a(2−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name pheophorbide a(2−)
ChEBI ID CHEBI:58687
ChEBI ASCII Name pheophorbide a(2-)
Definition Dianion of pheophorbide a.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C35H34N4O5
Net Charge -2
Average Mass 590.66830
Monoisotopic Mass 590.25402
InChI InChI=1S/C35H35N4O5/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22/h8,12-14,17,21,36,39H,1,9-11H2,2-7H3,(H,40,41)/q-1/p-1/b22-12-,23-13-,24-12-,25-14-,26-13-,27-14-,32-30-/t17-,21-/m0/s1
InChIKey UXWYEAZHZLZDGM-ZVEVZSNKSA-M
SMILES CCc1c(C)c2cc3[nH]c(cc4nc([C@@H](CCC([O-])=O)[C@@H]4C)c4[c-](C(=O)OC)c(=O)c5c(C)c(cc1n2)[nH]c45)c(C)c3C=C
ChEBI Ontology
Outgoing pheophorbide a(2−) (CHEBI:58687) is a cyclic tetrapyrrole anion (CHEBI:58941)
pheophorbide a(2−) (CHEBI:58687) is conjugate base of pheophorbide a (CHEBI:38257)
Incoming pheophorbide a (CHEBI:38257) is conjugate acid of pheophorbide a(2−) (CHEBI:58687)
IUPAC Name
3-[(3S,4S)-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-9-vinylphorbin-21-id-3-yl]propanoate
Synonym Source
pheophorbide a UniProt
Manual Xref Database
CPD-7061 MetaCyc
View more database links
Last Modified
09 March 2021